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Publication Metadata only Calculation of diffusion coefficient of doxycycline and naproxen adsorption on HKUST-1/ZnO/SA nanocomposite(PERGAMON-ELSEVIER SCIENCE LTD, 2025) Jie, Qi; Hassan, Waqed H.; Naser, Ghazi Faisal; Singh, Narinderjit Singh Sawaran; Al-Athari, Ali Jihad Hemid; Abdullaeva, Barno; Salahshour, Soheil; Emami, Nafiseh; Sajadi, S. Mohammad; North University of China; University of Warith Alanbiyaa; University of Kerbala; Al-Muthanna University; Al-Ayen University; INTI International University; Al-Mustaqbal University College; Tashkent State Pedagogical University; Okan University; Bahcesehir University; Ministry of Education of Azerbaijan Republic; Khazar UniversityIn recent years, water shortages and pollution of these finite resources have emerged as major worldwide problems. Pharmaceutical pollutants make up the largest percentage of all water pollutants. According to empirical evidence, the adsorption method was the most effective way to eliminate pharmaceutical pollutants from aquatic environments. The adsorption process was divided into three sections: Three diffusion and adsorption in adsorbent pores in the liquid bulk, and two mass transfer in the boundary layer. In the last step of adsorption, the mechanism of the adsorption process is formed by diffusion inside the adsorbent. Recently, there has been a lot of interest in modeling to solve mass transfer equations and estimate attributes, mostly because it is less expensive and riskier than experimental methods. In this study, the Langmuir kinetics model was used to match the Dp of naproxen and doxycycline on the HKUST-1/ZnO/SA nanocomposite adsorbent, which was calculated using MATLAB. The desired data were also collected, and the case model was fitted using experimental data. Using the formulae and fitting the graphs, the modeling results show that the external film mass transfer coefficient (kf) and Langmuir second-order forward rate coefficient (k1) were comparable to 1.53 x 10- 6 cm/s and 4.6 x 10-3 cm3/mg.s, respectively. Using the determined k1 and kf, the Dp of doxycycline was within the range of Dp in solids and was 2.13 x 10-10 cm2/s. Given that the obtained k1 and kf equaled 2.10 x 10- 10 cm2/s, the Dp of naproxen was within the range of Dp in solids. Until it reached its maximum value on the adsorbent surface, the concentration rose in tandem with the radius.Publication Metadata only Changes in mechanical properties of copper-silver matrix welded by the iron blade by increasing initial pressure: A molecular dynamics approach(ELSEVIER, 2024) Ayadi, Badreddine; Jasim, Dheyaa J.; Sajadi, S. Mohammad; Nasajpour-Esfahani, Navid; Salahshour, Soheil; Esmaeili, Shadi; Sabetvand, Rozbeh; Elhag, Ahmed Faisal Ahmed; University Ha'il; Universite de Sfax; Ecole Nationale dIngenieurs de Sfax (ENIS); Al-Amarah University College; Cihan University-Erbil; University System of Georgia; Georgia Institute of Technology; Okan University; Lebanese American University; Bahcesehir University; Semnan University; Amirkabir University of Technology; Qassim UniversityAtomic investigation of many common phenomena can be included as interesting achievements. Using these achievements makes it possible to design promising structures for various actual applications. The current research describes the mechanical performance of Ag and Cu samples after welding at various initial pressures. For this purpose, the Molecular Dynamics (MD) approach is used via the LAMMPS package. Technically, MD simulations are done in 2 main steps. Firstly, the atomic stability of welded Ag-Cu samples is described at various initial conditions (initial pressure). Then, tension test settings are implemented in equilibrated systems. The MD outputs indicate that the physical stability of the welded samples was altered by changing the initial pressure between 1 and 10 bar. Simulation results predict that the mechanical resistance of atomic samples decreases by enlarging the initial pressure. Numerically, the ultimate strength of the Ag-Cu matrixes decreases from 1.424 MPa to 1.241 MPa by increasing the initial pressure from 1 bar to 10 bar, respectively. This mechanical performance arises from atomic disorder created inside samples. So, it is expected that initial condition changes affect the atomic evolution of welded metallic samples, and this phenomenon should be considered in the design of mechanical structures in industrial cases.Publication Metadata only Influence of graphene nanoplate size and heat flux on nanofluid heat exchanger performance: A molecular dynamics approach(PERGAMON-ELSEVIER SCIENCE LTD, 2025) Yang, Zhongxiu; Basem, Ali; Jasim, Dheyaa J.; Singh, Narinderjit Singh Sawaran; Saeidlou, Salman; Al-Bahrani, Mohammed; Sajadi, S. Mohammad; Salahshour, Soheil; Hasanabad, Ali Mohammadi; Weifang University of Science & Technology; University of Warith Alanbiyaa; Al-Maarif University; INTI International University; Canterbury Christ Church University; Al-Mustaqbal University College; Okan University; Bahcesehir University; Ministry of Education of Azerbaijan Republic; Khazar UniversityThis study aimed to enhance the thermal efficiency of nanofluid-based heat exchangers by exploring the simultaneous effects of external heat flux and graphene nanoplate sizes on thermal and structural characteristics. Effective heat transfer is a critical requirement for managing heat in microscale systems, where optimizing the thermal performance of nanofluids can improve device performance. Molecular dynamics simulations were carried out of a sinusoidal inner surface copper heat exchanger coated with silicon nanoparticles to demonstrate atomic-level interaction within the nanofluid. The significant findings showed that while an external rising heat flux decreased heat flux from 41.7 to 37.26 W/m2 and thermal conductivity of nanofluid from 14.53 to 13.80 W/ m & sdot,K, only an increase in viscosity from 0.32 to 0.49 mPa & sdot,s, the agglomeration time of nanoparticles decreased from 3.71 to 3.33 ns and friction coefficient from 0.022 to 0.015, could indicate a difference in particle behavior responding to the thermal stress. However, the size of the graphene nanoplate from 5 to 15 & Aring, increases the heat flux from 40.05 to 46.77 W/m2 and thermal conductivity of the nanofluid from 14.15 to 14.99 W/m & sdot,K, since the larger graphene nanoplate films can produce a more substantial covalent bonding and link interlayer coupling. In contrast, the larger nanoplate also enhanced viscosity from 0.30 to 0.39 mPa & sdot,s, aggregation time from 3.64 to 4.01 ns, and friction coefficient from 0.020 to 0.026, which indicated lower particle mobility. This study was the first of its kind to contribute to the existing knowledge gap by investigating the simultaneous effect of both the nanoplate size and external heat flux in an oscillating microchannel heat exchanger. The knowledge provided offers an experimental pathway in optimizing the nanofluid properties and the heat exchanger geometry for improved thermal management for compact and microscale applications.Publication Metadata only Investigating the effect of variable heat flux on buckling of carbon nanotube using non-equilibrium molecular dynamic simulation(PERGAMON-ELSEVIER SCIENCE LTD, 2025) Hou, Guoliang; Al-Mussawi, Waqid; Khidhir, Dana Mohammad; Singh, Narinderjit Singh Sawaran; Saeidlou, Salman; Al-Bahrani, Mohammed; Salahshour, Soheil; Sajadi, S. Mohammad; Hasanabad, Ali Mohammadi; Changchun Normal University; University of Warith Alanbiyaa; Knowledge University; INTI International University; Canterbury Christ Church University; Al-Mustaqbal University College; Okan University; Bahcesehir University; Ministry of Education of Azerbaijan Republic; Khazar UniversityIt is critical to know the buckling behavior of carbon nanotubes under non-uniform heat flux for maintaining stability in thermal applications at the nanoscale. In this study, time-dependent external heat fluxes of 1, 3, 5, and 10 W/m(2) are applied to carbon nanotubes using non-equilibrium molecular dynamics simulations, and the resulting structural and energetic responses are analyzed systematically. The findings demonstrate that, in parallel with the evolution toward the post-buckling state, some kinetic energy and mean squared displacement increased during simulation before abruptly decreasing and stabilizing. Before buckling, potential energy peaked and then dropped to negative values, indicating structural relaxation. The center of mass displacement was constrained, and the interaction energy stabilized at 3.63 x 10(13) eV, reflecting the structure's stability following buckling. Additionally, kinetic energy increased from about 50 eV to 130-140 eV and then decreased to 80-90 eV after buckling when the heat flux increased from 3 to 10 W/m(2). With a slight increase in atom mobility, mean squared displacement went from 0.41 to 0.412. After initially reaching its maximum, potential energy began to gradually decline, with the decline being greater at higher heat flux values. The interaction energy increased at 2.25 x 10(-12) eV at 3 W/m(2) and then decreased at 3.75 x 10(-14) eV at 10 W/m(2), indicating that higher thermal energy generates higher molecular motion and structural relaxation, stabilizing the buckled shape. The center of mass displacement decreased with increasing heat flux, suggesting greater local deformation and less overall movement. The originality of this work lies in simulating an actual, spatially non-uniform heat flux and examining its direct effect on carbon nanotubes' thermomechanical behavior, a situation overwhelmingly unexplored by the literature. The results offer useful guidance for the design of carbon nanotube-based systems in nanoelectronics and thermal management systems operating under non-uniform thermal conditions.Publication Metadata only Molecular dynamics simulation of mechanical and oscillating characteristics of graphene nanosheets with zigzag and armchair edges(ELSEVIER, 2024) Fei, Qiang; Al-dolaimy, F.; Sajadi, S. Mohammad; Alawadi, Ahmed Hussien; Haroon, Noor Hanoon; Jasim, Dheyaa J.; Salahshour, Soheil; Alsaalamy, Ali; Eftekhari, S. Ali; Hekmatifar, Maboud; Guangdong University of Science & Technology; Al-Zahraa University for Women; Cihan University-Erbil; Islamic University College; Islamic University College; University of Babylon; Al-Ayen University; Al-Amarah University College; Okan University; Bahcesehir University; Lebanese American University; Imam Jaa'far al-Sadiq University; Islamic Azad UniversityAn oscillator is a circuit that can produce a continuous, repetitive, and alternating waveform without any input. However, the oscillations caused by the conversion between the two forms of energy cannot last forever. As a result, the amplitude decreases until it becomes zero, thus causing their nature to decrease. After discovering graphene nanosheets, their use in nanoelectricity science was much considered. Due to the amazing properties of graphene nanosheets, they can be used to establish permanent oscillations. The results show that graphene nanosheets ' mechanical properties and electrical properties depend on their structure and shape. Therefore, this study investigates the effect of graphene nanosheets type, size, and temperature on the simulated nanostructure's mechanical properties and oscillating behavior with Molecular Dynamics simulation. The results show that the graphene nanosheets with zig-zag edges has higher mechanical strength than armchair edges. Young's modulus and Ultimate strength of graphene nanosheets with zig-zag edges are numerically 1079 and 115 GPa, respectively. On the other hand, the resistance in graphene nanosheets can be expressed by reducing the oscillation amplitude and increasing the oscillation frequency. The results show that by changing the armchair edges to zigzag, the oscillation amplitude of graphene nanosheets decreases from 10.36 to 9.82 angstrom. Also, by enhancing the length of graphene nanosheets from 30 to 100, the oscillation amplitude of graphene nanosheets increases from 7.59 to 12.12 angstrom. This increase is due to the increases in the contact surface of the atomic structures. Consequently, the interactions between the carbon particles and mechanical resistance decrease. According to the results of this project, the findings improve the dynamics of nanoscale oscillators and cause a significant improvement in the performance of various devices.Publication Metadata only Simulation of natural convection of nanofluid inside a square cavity using experimental data by lattice Boltzmann method(ELSEVIER, 2024) Weng, Lijie; Rahmani, Amin; Sajadi, S. Mohammad; Kumar, Anjan; Ulloa, Nestor; Abdulameer, Sajjad Firas; Alawadi, Ahmed; Alsalamy, Ali; Salahshour, Soheil; Zarringhalam, Majid; Baghaei, Sh.; University of Exeter; Cihan University-Erbil; GLA University; Al-Ayen University; University of Kerbala; Islamic University College; Islamic University College; University of Babylon; Imam Jaa'far al-Sadiq University; Okan University; Bahcesehir University; Lebanese American University; Islamic Azad University; Islamic Azad UniversityThe Lattice Boltzmann Method (LBM) is one of the suggested numerical approaches that has been shown to accurately estimate the increase in heat transfer caused by nanofluids. Several approaches to the prediction of the characteristics of nanofluids are investigated, and it is shown to what degree the classical models are accurate representations of the experimental data. The first thing that was done in this study was to explain the thermophysical parameters of the Ethylene Glycol (EG)-iron nanofluid that was employed. The effect of the Rayleigh number, the volume fraction of nanoparticles (phi), and the cavity angle (theta) on the isotherms and the average Nusselt number (Nuavg) are investigated. Finally, the effect of the adiabatic fin on the flow is investigated, and it is demonstrated in which scenario the adiabatic vane will be the most effective. The findings demonstrate that raising the Rayleigh number to 105 and 106 causes the heat to be transferred under the adiabatic fin. This finding suggests that the buoyancy force has a stronger influence on the heat transfer process when it is carried out close to the source of the cold. In general, if the Rayleigh number is increased, the rate of heat transfer in the fluid will rise as well. The Nu avg is increased by 44 % when the Ra number is increased from 103 to 105, and it is increased by 118 % when the Ra number is increased from 105 to 106. The chances of heat entering the cold source are reduced when the adiabatic fin is longer and situated lower. There is a wider cold zone within the hollow when Lf = 80 and Hf = 20, indicating that less heat is entering the cold source.Publication Metadata only The effect of initial conditions (temperature and pressure) on combustion of Fe-coated-aluminum hydride nanoparticles using the molecular dynamics approach(ELSEVIER, 2024) Yuanlei, Si; Hammoodi, Karrar A.; Sajadi, S. Mohammad; Rashid, Farhan Lafta; Li, Z.; Jasim, Dheyaa J.; Salahshour, Soheil; Esmaeili, Shadi; Sabetvand, Rozbeh; Jiangsu Vocational Institute of Architectural Technology; University of Warith Alanbiyaa; Cihan University-Erbil; University of Kerbala; Donghai Laboratory; Opole University of Technology; Al-Amarah University College; Okan University; Bahcesehir University; Lebanese American University; Semnan University; Amirkabir University of TechnologyHighly combustible elements like beryllium, lithium, Al, Mg, and Zn have the highest combustion, increasing the heat in explosives and propellants. Al can be used because of its greater avail-ability. Reducing the size of Al nanoparticle (NP) increases the combustion rate and decreases the combustion time. This paper studied the effect of initial conditions on the phase transition (PT) and atomic stability times of Fe-coated-aluminium hydride (AlH3) NPs. The molecular dynamics (MD) technique was used in this research. The microscopic behavior of structures was studied by density (Den.), velocity (Vel.), and temperature (Tem.) profiles. Heat flux (HF), PT, and the atomic stability of the structure were examined at different initial pressures (IP) and initial temperatures (IT). According to the achieved results, Den., Vel., and Tem. values had a maximum value of 0.025 atoms/angstrom 3, 0.026 angstrom/ps, and 603 K. By increasing IT in the simulation box to 350 K, HF in the samples increases to 75.31 W/m2. Moreover, the PT time and atomic stability time by increasing IP reach to 5.93 ns and 8.96 ns, respectively. Regarding the importance of the phe-nomenon of heat transfer and PT of nanofluids (NFs), the findings of this study are predicted to be useful in various industries, including medicine, agriculture, and others.Publication Metadata only A comprehensive review of data analytics and storage methods in geothermal energy operations(ELSEVIER, 2025) Basem, Ali; Al-Nussairi, Ahmed Kateb Jumaah; Khidhir, Dana Mohammad; Singh, Narinderjit Singh Sawaran; Baghoolizadeh, Mohammadreza; Fazilati, Mohammad Ali; Salahshour, Soheil; Sajadi, S. Mohammad; Hasanabad, Ali Mohammadi; University of Warith Alanbiyaa; University of Manara; Knowledge University; INTI International University; Shahrekord University; Islamic Azad University; Okan University; Bahcesehir University; Ministry of Education of Azerbaijan Republic; Khazar UniversityGeothermal energy storage (GES) systems are thoroughly examined in this research, with a focus on methods like borehole thermal energy storage (BTES), underground thermal energy storage (UTES), and aquifer thermal energy storage (ATES). It highlights the importance of thermal energy storage (TES) systems in addressing global energy challenges. The feasibility of UTES for large-scale energy storage and its integration with geothermal power plants is investigated. The ATES, with the advantage of large storage capacity and low operating costs has could be employed in regions with suitable aquifers. The adaptability of BTES to different ground conditions and its small land footprint made it a spotlight for the researchers. The study emphasizes the role of TES technologies in meeting the growing demand for renewable energy, reducing the impact of climate change, and providing efficient energy solutions for heating, ventilating, and air conditioning. HVAC systems. Also, the application of geothermal power plants and TES systems in decreasing the dependence on nonrenewable energy sources and increasing energy efficiency increase investigated. The development of reliable and affordable sensors, together with improvements in processing power, has made data-intensive algorithms and real-time operational decision-making applications in the field of geothermal energy. The study also delves into the potential of machine learning to optimize geothermal design, monitor performance, improve performance, find errors, and more. It was shown that artificial neural networks were the most common kind of trained model, while several other models were often used as benchmarks for performance. Picture selection, systematic time series feature engineering and model evaluation were all areas that showed a lot of promise in the systematic review for future research and practical applications.Publication Metadata only Numerical examination of exergy performance of a hybrid solar system equipped with a sheet-and-sinusoidal tube collector: Developing a predictive function using artificial neural network(ELSEVIER, 2024) Sun, Chuan; Fares, Mohammad N.; Sajadi, S. Mohammad; Li, Z.; Jasim, Dheyaa J.; Hammoodi, Karrar A.; Nasajpour-Esfahani, Navid; Salahshour, Soheil; Alizadeh, As'ad; Huanggang Normal University; University of Basrah; Cihan University-Erbil; Donghai Laboratory; Opole University of Technology; Al-Amarah University College; University of Warith Alanbiyaa; University System of Georgia; Georgia Institute of Technology; Okan University; Bahcesehir University; Lebanese American University; Urmia UniversityIntegrating cooling systems with photovoltaic-thermal (PVT) collectors has the potential to mitigate the exergy consumption in the building sector due to their capability for simultaneous power and thermal energy generation. The simultaneous utilization of nanofluid and geometry modification resulted in a synergetic enhancement in the performance of PVTs and thereby reducing their sizes and costs. In addition, there is still a lack of high accurate predictive model for the estimation of the performance of PVTs at a given Re number and nanofluid concentration ratio to be used in engineering design for the further product commercialization. To this end, the current numerical study investigates the exergy electricity, thermal, and overall exergies of a building-integrated photovoltaic thermal (BIPVT) solar collector with Al2O3/water coolant. The increase in nanoparticle concentration (omega) from 0 % to 1 % increased the useful thermal exergy and overall exergy efficiency (Exu,t/ Yov) by 0.3999 %/0.0497 %, 1.3959 %/0.2598 %, and 0.7489 %/0.1771 % at Re numbers of 500, 1000, and 1500, respectively, while Exu,t/ Yov exhibited a reducing trend at Re = 2000, 0.3928 %/0.1056 % decrease. In addition, the increase in omega from 0 % to 1 % caused the useful electricity and electrical exergy (Exu,e/ Ye) to be diminished by 0.0060 %/0.0025 % at Res 500 and 1000, and to be escalated by 0.0113 %/0.0055 % at Res of 1500 and 2000. Meanwhile, the Re augmentation, from 500 to 2000, improved the Exu,t, Exe, Ye, and Yov by 60 %, 1.26 %, 1.26 %, and 17.50 %, respectively, at different omega s. In addition, two functions were developed and proposed by applying a group method of data handling-type neural network (GMDH-ANN) to forecast the value of Υov based on two input values (Re and omega). The results showed high accuracy of the proposed model with MSE, EMSE, and R2 of 0.0138, 0.1143, and 0.99785, respectively.Publication Metadata only Dynamic instability analysis of piezoelectric nanoplates under combined AC/DC voltages(ELSEVIER, 2025) Ali, Ali B. M.; Al-Nussairi, Ahmed Kateb Jumaah; Singh, Narinderjit Singh Sawaran; Hashim, Abdulghafor Mohammed; Salahshour, Soheil; Sajadi, S. Mohammad; Hasanabad, Ali Mohammadi; University of Warith Alanbiyaa; University of Manara; Al-Bayan University; Okan University; Bahcesehir University; Ministry of Education of Azerbaijan Republic; Khazar UniversityThis work is devoted to the severe and still unsolved problem of a complete study of the instability of piezoelectric nanoplates under the combined impact of direct current (DC) and alternating current (AC) voltages, nonlocal piezoelastic dependencies, and interaction with an elastic foundation. These combined investigations are rarely discussed in the literature, although they are crucial to the successful functioning of nanoelectromechanical systems (NEMS), such as sensors, actuators, and energy harvesters. To address this research gap, we build a unified theoretical model, founded on Hamilton's principle, Mindlin plate theory, and Eringen nonlocal elasticity theory. Discretization of the governing equations is performed using the Galerkin method, with Floquet theory employed to rigorously identify parametric resonance effects and determine the stability and unstable regions of the voltage-frequency parameter space. The impact of controlling physical parameters, such as nonlocal scale factors, geometric dimensions, magnitude of DC voltage, and elastic foundation stiffness, is systematically studied to explain their collective contributions to instabilities. Our findings indicate that a nonlocal effect, combined with large lateral dimensions, tends to cause instability, whereas a stiff substrate and negative DC voltage enhance stability. Numerical simulations confirm the theory by showing uninhibited transverse displacement in vicinity of resonance regions. This detailed investigation not only contributes to the basic knowledge of electromechanical coupling and dynamics in piezoelectric nanoplates but also provides practical design guidelines to maximize the robustness and efficiency of NEMS devices in the future.